[molpro-user] SGI IRIX blas and lapack libraries

Lisa M. Perez mouse at mail.chem.tamu.edu
Tue Jun 7 04:30:02 BST 2005

I am currently compiling molpro 2002.6 on a variety of machines and had
some questions about which libraries to use and how to specify them. I
would like to use the 64 bit 8 integer blas and lapack libraries (SCSL)
but I'm not sure if I am specifying them properly.

For our SGI R14000, IRIX 6.5 machines:

We will be using the tcgmsg from GA as suggested by the molpro
installation manual.  To compile GA I used the following settings:

BLAS_LIB=-L/usr/lib/libblas.a NATIVE_BLAS=no

For molpro I used:

configure -mpp -i8

I then went into the CONFIG file and changed the LAPACKLIB line from




but this gave me errors in the test jobs so, I recompiled without
modifying the LAPACKLIB line and the quicktest jobs ran fine.

My main questions are:

1) The blas libraries are found in /usr/lib and /usr/lib64 and it is my
understanding the -lblas will access the /usr/lib blas libraries and
-lscs_i8 will use the /usr/lib64 blas libraries.  Should't I be accessing
the lib64 version?

2) Why is there not a question about the lapack libraries in the
configuration script?  Should I be setting the LAPACKLIB to something
(-lscs_i8 gave errors in some of the quicktest jobs)?

3) Did I compile GA with the correct libraries?

Once I get the program compiled for IRIX, I will probably have more
questions for the Altix, IBM, MacOS X and Linux machines :)

Anyones help/info would be greatly appreciated!



Lisa M. Pérez, Ph.D.

Manager, Laboratory for Molecular Simulation


Texas A&M University               mouse at mail.chem.tamu.edu
Dept. of Chemistry                 Chemistry Bldg. RM. 2109
P.O. Box 30012                        office (979) 845-9384
College Station, TX 77842-3012           fax (979) 845-2971

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